UCSF

ZINC34691764

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 6.32 -14.55 0 6 0 45 427.52 6
Mid Mid (pH 6-8) 2.21 8.57 -49.12 1 6 1 46 428.528 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )